# CIF generated by HEAS from Alexandria entry agm006232249 data_agm006232249 _cell_length_a 5.55730 _cell_length_b 11.21350 _cell_length_c 36.48944 _cell_angle_alpha 90.00000 _cell_angle_beta 90.00000 _cell_angle_gamma 90.00000 _cell_volume 2273.90481 _symmetry_space_group_name_H-M 'P 1' _symmetry_Int_Tables_number 1 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Ca1 Ca 0.96287 0.12008 0.94727 1.00000 Ca2 Ca 0.46287 0.87992 0.05273 1.00000 Ca3 Ca 0.46287 0.37992 0.94727 1.00000 Ca4 Ca 0.96287 0.62008 0.05273 1.00000 Ca5 Ca 0.28191 0.61881 0.88608 1.00000 Ca6 Ca 0.78191 0.38119 0.11392 1.00000 Ca7 Ca 0.78191 0.88119 0.88608 1.00000 Ca8 Ca 0.28191 0.11881 0.11392 1.00000 Ca9 Ca 0.20551 0.12769 0.77959 1.00000 Ca10 Ca 0.70551 0.87231 0.22041 1.00000 Ca11 Ca 0.70551 0.37231 0.77959 1.00000 Ca12 Ca 0.20551 0.62769 0.22041 1.00000 Ca13 Ca 0.98247 0.87230 0.72057 1.00000 Ca14 Ca 0.48247 0.12770 0.27943 1.00000 Ca15 Ca 0.48247 0.62770 0.72057 1.00000 Ca16 Ca 0.98247 0.37230 0.27943 1.00000 Ca17 Ca 0.90690 0.38117 0.61401 1.00000 Ca18 Ca 0.40690 0.61883 0.38599 1.00000 Ca19 Ca 0.40690 0.11883 0.61401 1.00000 Ca20 Ca 0.90690 0.88117 0.38599 1.00000 Ca21 Ca 0.22593 0.87994 0.55278 1.00000 Ca22 Ca 0.72593 0.12006 0.44722 1.00000 Ca23 Ca 0.72593 0.62006 0.55278 1.00000 Ca24 Ca 0.22593 0.37994 0.44722 1.00000 Mg1 Mg 0.00096 0.86966 0.99576 1.00000 Mg2 Mg 0.50096 0.13034 0.00424 1.00000 Mg3 Mg 0.50096 0.63034 0.99576 1.00000 Mg4 Mg 0.00096 0.36966 0.00424 1.00000 Mg5 Mg 0.23460 0.87253 0.82937 1.00000 Mg6 Mg 0.73460 0.12747 0.17063 1.00000 Mg7 Mg 0.73460 0.62747 0.82937 1.00000 Mg8 Mg 0.23460 0.37253 0.17063 1.00000 Mg9 Mg 0.23112 0.37242 0.83773 1.00000 Mg10 Mg 0.73112 0.62758 0.16227 1.00000 Mg11 Mg 0.73112 0.12758 0.83773 1.00000 Mg12 Mg 0.23112 0.87242 0.16227 1.00000 Mg13 Mg 0.95728 0.62748 0.66242 1.00000 Mg14 Mg 0.45728 0.37252 0.33758 1.00000 Mg15 Mg 0.45728 0.87252 0.66242 1.00000 Mg16 Mg 0.95728 0.12748 0.33758 1.00000 Mg17 Mg 0.95384 0.12741 0.67076 1.00000 Mg18 Mg 0.45384 0.87259 0.32924 1.00000 Mg19 Mg 0.45384 0.37259 0.67076 1.00000 Mg20 Mg 0.95384 0.62741 0.32924 1.00000 Mg21 Mg 0.18781 0.63034 0.49577 1.00000 Mg22 Mg 0.68781 0.36966 0.50423 1.00000 Mg23 Mg 0.68781 0.86966 0.49577 1.00000 Mg24 Mg 0.18781 0.13034 0.50423 1.00000 B1 B 0.18983 0.38225 0.52611 1.00000 B2 B 0.68983 0.61775 0.47389 1.00000 B3 B 0.68983 0.11775 0.52611 1.00000 B4 B 0.18983 0.88225 0.47389 1.00000 B5 B 0.21716 0.62539 0.80840 1.00000 B6 B 0.71716 0.37461 0.19160 1.00000 B7 B 0.71716 0.87461 0.80840 1.00000 B8 B 0.21716 0.12539 0.19160 1.00000 B9 B 0.99903 0.61770 0.97391 1.00000 B10 B 0.49903 0.38230 0.02609 1.00000 B11 B 0.49903 0.88230 0.97391 1.00000 B12 B 0.99903 0.11770 0.02609 1.00000 B13 B 0.47106 0.12545 0.69176 1.00000 B14 B 0.97106 0.87455 0.30824 1.00000 B15 B 0.97106 0.37455 0.69176 1.00000 B16 B 0.47106 0.62545 0.30824 1.00000 B17 B 0.44932 0.61717 0.64175 1.00000 B18 B 0.94932 0.38283 0.35825 1.00000 B19 B 0.94932 0.88283 0.64175 1.00000 B20 B 0.44932 0.11717 0.35825 1.00000 B21 B 0.23920 0.11710 0.85838 1.00000 B22 B 0.73920 0.88290 0.14162 1.00000 B23 B 0.73920 0.38290 0.85838 1.00000 B24 B 0.23920 0.61710 0.14162 1.00000 B25 B 0.18731 0.62320 0.58681 1.00000 B26 B 0.68731 0.37680 0.41319 1.00000 B27 B 0.68731 0.87680 0.58681 1.00000 B28 B 0.18731 0.12320 0.41319 1.00000 B29 B 0.23622 0.87731 0.91980 1.00000 B30 B 0.73622 0.12269 0.08020 1.00000 B31 B 0.73622 0.62269 0.91980 1.00000 B32 B 0.23622 0.37731 0.08020 1.00000 B33 B 0.45263 0.37723 0.58025 1.00000 B34 B 0.95263 0.62277 0.41975 1.00000 B35 B 0.95263 0.12277 0.58025 1.00000 B36 B 0.45263 0.87723 0.41975 1.00000 B37 B 0.44216 0.88056 0.75408 1.00000 B38 B 0.94216 0.11944 0.24592 1.00000 B39 B 0.94216 0.61944 0.75408 1.00000 B40 B 0.44216 0.38056 0.24592 1.00000 B41 B 0.50160 0.12314 0.91328 1.00000 B42 B 0.00160 0.87686 0.08672 1.00000 B43 B 0.00160 0.37686 0.91328 1.00000 B44 B 0.50160 0.62314 0.08672 1.00000 B45 B 0.24587 0.38057 0.74609 1.00000 B46 B 0.74587 0.61943 0.25391 1.00000 B47 B 0.74587 0.11943 0.74609 1.00000 B48 B 0.24587 0.88057 0.25391 1.00000 O1 O 0.46823 0.33137 0.61486 1.00000 O2 O 0.96823 0.66863 0.38514 1.00000 O3 O 0.96823 0.16863 0.61486 1.00000 O4 O 0.46823 0.83137 0.38514 1.00000 O5 O 0.01160 0.37048 0.73033 1.00000 O6 O 0.51160 0.62952 0.26967 1.00000 O7 O 0.51160 0.12952 0.73033 1.00000 O8 O 0.01160 0.87048 0.26967 1.00000 O9 O 0.15157 0.08980 0.56061 1.00000 O10 O 0.65157 0.91020 0.43939 1.00000 O11 O 0.65157 0.41020 0.56061 1.00000 O12 O 0.15157 0.58980 0.43939 1.00000 O13 O 0.18190 0.66640 0.55185 1.00000 O14 O 0.68190 0.33360 0.44815 1.00000 O15 O 0.68190 0.83360 0.55185 1.00000 O16 O 0.18190 0.16640 0.44815 1.00000 O17 O 0.24851 0.91900 0.77365 1.00000 O18 O 0.74851 0.08100 0.22635 1.00000 O19 O 0.74851 0.58100 0.77365 1.00000 O20 O 0.24851 0.41900 0.22635 1.00000 O21 O 0.22056 0.83128 0.88523 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0.05178 1.00000 O101 O 0.29892 0.19828 0.67702 1.00000 O102 O 0.79892 0.80172 0.32298 1.00000 O103 O 0.79892 0.30172 0.67702 1.00000 O104 O 0.29892 0.69828 0.32298 1.00000 O105 O 0.37876 0.19584 0.83895 1.00000 O106 O 0.87876 0.80416 0.16105 1.00000 O107 O 0.87876 0.30416 0.83895 1.00000 O108 O 0.37876 0.69584 0.16105 1.00000 O109 O 0.07412 0.04543 0.84095 1.00000 O110 O 0.57412 0.95457 0.15905 1.00000 O111 O 0.57412 0.45457 0.84095 1.00000 O112 O 0.07412 0.54543 0.15905 1.00000 O113 O 0.52766 0.04662 0.50792 1.00000 O114 O 0.02766 0.95338 0.49208 1.00000 O115 O 0.02766 0.45338 0.50792 1.00000 O116 O 0.52766 0.54662 0.49208 1.00000 O117 O 0.08425 0.55074 0.83041 1.00000 O118 O 0.58425 0.44926 0.16959 1.00000 O119 O 0.58425 0.94926 0.83041 1.00000 O120 O 0.08425 0.05074 0.16959 1.00000